N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide

C23H23FN4OS — CID 133389237

IUPACN-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(c2cncc(SCc3ccccc3)n2)CC1)c1ccccc1F
InChIInChI=1S/C23H23FN4OS/c24-20-9-5-4-8-19(20)23(29)26-18-10-12-28(13-11-18)21-14-25-15-22(27-21)30-16-17-6-2-1-3-7-17/h1-9,14-15,18H,10-13,16H2,(H,26,29)
InChIKeyQVUDPGSXBQOOCL-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.31
Rot. Bonds6

About N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide

N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide (PubChem CID 133389237) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide
PubChem CID133389237
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC NameN-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(c2cncc(SCc3ccccc3)n2)CC1)c1ccccc1F
InChIInChI=1S/C23H23FN4OS/c24-20-9-5-4-8-19(20)23(29)26-18-10-12-28(13-11-18)21-14-25-15-22(27-21)30-16-17-6-2-1-3-7-17/h1-9,14-15,18H,10-13,16H2,(H,26,29)
InChIKeyQVUDPGSXBQOOCL-UHFFFAOYSA-N
XLogP4.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 133390013
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 133413644
2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133390053
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid
CID 175652870
2-benzylsulfanyl-N-cyclopropylbenzamide
CID 41455363
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]benzonitrile
CID 133389483
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
CID 86964134
[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 133389485

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide (CID 133389237) is N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide is O=C(NC1CCN(c2cncc(SCc3ccccc3)n2)CC1)c1ccccc1F.
What is the InChIKey of N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is QVUDPGSXBQOOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS/c24-20-9-5-4-8-19(20)23(29)26-18-10-12-28(13-11-18)21-14-25-15-22(27-21)30-16-17-6-2-1-3-7-17/h1-9,14-15,18H,10-13,16H2,(H,26,29).
What are the key properties of N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide?
N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 422.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 133389237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).